Crystal and molecular structure of bis(N,N-di-n-butyldithiocarbamato)copper(III) triiodide

Research paper by J. G. Wijnhoven, Th. E. M. van den Hark, P. T. Beurskens

Indexed on: 01 Nov '72Published on: 01 Nov '72Published in: Journal of chemical crystallography


The crystal and molecular structure of bis(N,N-di-n-butyldithiocarbamato)-copper (III) triiodide, Cu(S2CN(C4H9)2)2+I3−, has been determined from a single-crystal X-ray diffraction study. The monoclinic unit cell, space groupP21/c,a = 14·026(6),b = 8·62(1),c = 25·015(9) Å, β = 95·35(5) °, contains four formulaentities. Three-dimensional intensity data were obtained from Weissenberg photographs. Atomic parameters were refined by full-matrix least-squares methods to a conventionalR value of 0·083 for 950 independent non-zero reflexions. The structure contains two symmetry-independent cations. In both cations, the copper atom is in planar coordination with four sulphur atoms, the mean Cu(III)-S bond length being 2·22(2) Å. Cu(III)-S distances are about 0·08 Å less than Cu(II)-S distances in comparable complexes.